N-tert-butyl-2-methylpiperazine-1-sulfonamide

C9H21N3O2S — CID 114810673

IUPACN-tert-butyl-2-methylpiperazine-1-sulfonamide
SMILESCC1CNCCN1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H21N3O2S/c1-8-7-10-5-6-12(8)15(13,14)11-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyKSGUPYZSZMXEOT-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.09
Rot. Bonds2

About N-tert-butyl-2-methylpiperazine-1-sulfonamide

N-tert-butyl-2-methylpiperazine-1-sulfonamide (PubChem CID 114810673) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-tert-butyl-2-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methylpiperazine-1-sulfonamide
PubChem CID114810673
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-tert-butyl-2-methylpiperazine-1-sulfonamide
SMILESCC1CNCCN1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H21N3O2S/c1-8-7-10-5-6-12(8)15(13,14)11-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyKSGUPYZSZMXEOT-UHFFFAOYSA-N
XLogP-0.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine
CID 103828936
(3aS,6aS)-N-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-sulfonamide
CID 104978113
2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
CID 119969723
2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
CID 82842565
2-methyl-1,4-diazepane-1-sulfonamide
CID 130848433
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
2-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 62671714
(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide
CID 82756446
(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
CID 82755088
(2R)-1-(2,5-dimethyl-3-methylsulfonylphenyl)sulfonyl-2-methylpiperazine
CID 120716863
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylpiperazine-1-sulfonamide?
The IUPAC name of N-tert-butyl-2-methylpiperazine-1-sulfonamide (CID 114810673) is N-tert-butyl-2-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-2-methylpiperazine-1-sulfonamide is CC1CNCCN1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylpiperazine-1-sulfonamide?
The InChIKey is KSGUPYZSZMXEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8-7-10-5-6-12(8)15(13,14)11-9(2,3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-2-methylpiperazine-1-sulfonamide?
N-tert-butyl-2-methylpiperazine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 114810673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).